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885277-75-8 molecular structure
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4-chloro-2-(4-chlorophenyl)-7-fluoroquinazoline

ChemBase ID: 812101
Molecular Formular: C14H7Cl2FN2
Molecular Mass: 293.1231832
Monoisotopic Mass: 291.99703181
SMILES and InChIs

SMILES:
c1c(cc2nc(nc(c2c1)Cl)c1ccc(cc1)Cl)F
Canonical SMILES:
Clc1ccc(cc1)c1nc(Cl)c2c(n1)cc(cc2)F
InChI:
InChI=1S/C14H7Cl2FN2/c15-9-3-1-8(2-4-9)14-18-12-7-10(17)5-6-11(12)13(16)19-14/h1-7H
InChIKey:
OAYVABJBTQJKCV-UHFFFAOYSA-N

Cite this record

CBID:812101 http://www.chembase.cn/molecule-812101.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2-(4-chlorophenyl)-7-fluoroquinazoline
IUPAC Traditional name
4-chloro-2-(4-chlorophenyl)-7-fluoroquinazoline
Synonyms
4-CHLORO-2-(4-CHLORO-PHENYL)-7-FLUORO-QUINAZOLINE
CAS Number
885277-75-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31828 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31828 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.354786  LogD (pH = 7.4) 5.354792 
Log P 5.354792  Molar Refractivity 85.0989 cm3
Polarizability 29.781372 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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